Assessment of Various Density Functional Theory Methods for Finding Accurate Structures of Actinide Complexes

Density functional theory (DFT) is a widely used computational method for predicting the physical and chemical properties of metals and organometals. As the number of electrons and orbitals in an atom increases, DFT calculations for actinide complexes become more demanding due to increased complexit...

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Detalles Bibliográficos
Autores principales: Kwon, Youngjin, Kim, Hee-Kyung, Jeong, Keunhong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8911565/
https://www.ncbi.nlm.nih.gov/pubmed/35268601
http://dx.doi.org/10.3390/molecules27051500

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8911565/
https://www.ncbi.nlm.nih.gov/pubmed/35268601
http://dx.doi.org/10.3390/molecules27051500

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